E699-3196 Screening compound: N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

E699-3196 Screening compound: N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
E699-3196 Screening compound: N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-3196
N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E699-3196

Molecular Formula

C21H24N2O5S2 (C21 H24 N2 O5 S2)

Compound Name

N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]butanamide

SMILES

CC(CC(NCc(cc1)ccc1OC)=O)S(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O

InChI

InChI=1S/C21H24N2O5S2/c1-13(10-20(24)22-12-15-4-6-16(28-3)7-5-15)30(26,27)17-8-9-19-18(11-17)23-21(25)14(2)29-19/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,24)(H,23,25)

InChI Key

CSUKHLBQGIDZQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-2.97

Polar Surface Area

86.632

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

E699-3196 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E699-3196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-3196?
Check Price and Availability of E699-3196, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E699-3196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-3196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-3196
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E699-3196 available by request